ChemSpider 2D Image | (2S)-N~1~-{(1S)-1-[(2R,3S)-3-(2-{[(2R)-1-(Methoxyamino)-3-methyl-1-oxo-2-butanyl]amino}-2-oxoethyl)-2-oxiranyl]-2-phenylethyl}-2-[(2-quinolinylcarbonyl)amino]succinamide | C32H38N6O7

(2S)-N1-{(1S)-1-[(2R,3S)-3-(2-{[(2R)-1-(Methoxyamino)-3-methyl-1-oxo-2-butanyl]amino}-2-oxoethyl)-2-oxiranyl]-2-phenylethyl}-2-[(2-quinolinylcarbonyl)amino]succinamide

  • Molecular FormulaC32H38N6O7
  • Average mass618.680 Da
  • Monoisotopic mass618.280212 Da
  • ChemSpider ID23170408

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-[(2-Chinolinylcarbonyl)amino]-N1-{(1S)-1-[(2R,3S)-3-(2-{[(2R)-1-(methoxyamino)-3-methyl-1-oxo-2-butanyl]amino}-2-oxoethyl)-2-oxiranyl]-2-phenylethyl}succinamid [German] [ACD/IUPAC Name]
(2S)-N1-{(1S)-1-[(2R,3S)-3-(2-{[(2R)-1-(Méthoxyamino)-3-méthyl-1-oxo-2-butanyl]amino}-2-oxoéthyl)-2-oxiranyl]-2-phényléthyl}-2-[(2-quinoléinylcarbonyl)amino]succinamide [French] [ACD/IUPAC Name]
(2S)-N1-{(1S)-1-[(2R,3S)-3-(2-{[(2R)-1-(Methoxyamino)-3-methyl-1-oxo-2-butanyl]amino}-2-oxoethyl)-2-oxiranyl]-2-phenylethyl}-2-[(2-quinolinylcarbonyl)amino]succinamide [ACD/IUPAC Name]
(2S)-N1-{(1S)-1-[(2R,3S)-3-(2-{[(2R)-1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]amino}-2-oxoethyl)oxiran-2-yl]-2-phenylethyl}-2-[(quinolin-2-ylcarbonyl)amino]butanediamide (non-preferred name)
(S)-N*1*-((S)-1-{(2R,3S)-3-[((R)-1-Methoxycarbamoyl-2-methyl-propylcarbamoyl)-methyl]-oxiranyl}-2-phenyl-ethyl)-2-[(quinoline-2-carbonyl)-amino]-succinamide
CHEMBL78312

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.24
ACD/KOC (pH 5.5): 208.87
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.23
ACD/KOC (pH 7.4): 208.85
Polar Surface Area: 194 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 481.4±3.0 cm3

Click to predict properties on the Chemicalize site


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